aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17301 | 0.94 | 288.31 | C12H10O2N5S | Nc1nc2c(c(S(=O)(=O)Cc3ccccc3)n1)N=C[N]2 |
|
AD17302 | -3.31 | 334.42 | C14H30O5N4 | CC(N)C1CCC(N)C(OC2C(N)CC(N)(CO)C(O)C2O)O1 |
|
AD17303 | 0.73 | 184.18 | C9H6N5 | N#CC=CC1=C[N]c2ncnc(N)c21 |
|
AD17304 | 0.77 | 292.31 | C9H10O6NS2 | COc1ccc(C(S)=NOS(=O)(=O)[O-])cc1OC |
|
AD17305 | 0.75 | 232.26 | C7H6O4NS2 | O=S(=O)([O-])ON=C(S)c1ccccc1 |
|
AD17306 | 1.75 | 213.22 | C11H9ON4 | CNc1ncnc2c1C(c1ccco1)=C[N]2 |
|
AD17307 | -0.53 | 138.13 | C6H6O2N2 | NC(=O)c1ccc(=O)[nH]c1 |
|
AD17308 | -7.37 | 856.94 | C29H52O14N12S2 | COS(=O)(=O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCSC)C(C)O |
|
AD17309 | 7.62 | 738.99 | C41H58O8N2S | CC1(C)CCC2(C(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD17310 | 1.55 | 270.25 | C12H9N7F | Nc1nc(NN=Cc2cccc(F)c2)nc2c1N=C[N]2 |